Equipments Details
Description
DESCRIPTION
HPC is a key step in present development of both new technologies and fundamental science but is also essential for the analysis of large amount of data. The PTCI platform proposes to the user an access to high-performance computing (HPC) equipment combined with a high level technical support. Our service includes the estimation of the hardware requirements and an assistance to optimize the software performances on our facilities. Our cluster is dedicated to general purpose job and handle many concurrent jobs from several users with varying requirements. The PTCI is part of the shared infrastructure of the Fédération Wallonie-Bruxelles CÉCI (Consortium des Équipements de Calcul Intensifs).
EXPERTISE
The PTCI has an expertise for the management of HPC equipment and for the installation and optimization of codes dedicated to particular applications, including the license management. The fields of expertise of the University research teams involved in the PTCI are very broad: Chemistry, Mathematics, Physics, Astronomy, Material Science, Polymers, Optics, Algorithmic, Biology,...
EQUIPMENT
The main cluster (Hercules) comprises more than 900 cores spread across 65 compute nodes including multi-core nodes (from 12 to 24 cores) with 24 to 128 GB of RAM and GPGPU. All the nodes are interconnected by a Gigabit Ethernet network and have access to several shared storage systems for a total capacity of 100 TB. Two hardware- accelerated interactive visualization nodes provide a way to remotely run 3D accelerated application. More than 100 softwares are installed, including most of the general programming languages, home-made codes developed for particular applications, major scientific codes under license or visualization tools. As part of the CÉCI shared infrastructure, the PTCI gives also access to larger HPC facilities.
HPC is a key step in present development of both new technologies and fundamental science but is also essential for the analysis of large amount of data. The PTCI platform proposes to the user an access to high-performance computing (HPC) equipment combined with a high level technical support. Our service includes the estimation of the hardware requirements and an assistance to optimize the software performances on our facilities. Our cluster is dedicated to general purpose job and handle many concurrent jobs from several users with varying requirements. The PTCI is part of the shared infrastructure of the Fédération Wallonie-Bruxelles CÉCI (Consortium des Équipements de Calcul Intensifs).
EXPERTISE
The PTCI has an expertise for the management of HPC equipment and for the installation and optimization of codes dedicated to particular applications, including the license management. The fields of expertise of the University research teams involved in the PTCI are very broad: Chemistry, Mathematics, Physics, Astronomy, Material Science, Polymers, Optics, Algorithmic, Biology,...
EQUIPMENT
The main cluster (Hercules) comprises more than 900 cores spread across 65 compute nodes including multi-core nodes (from 12 to 24 cores) with 24 to 128 GB of RAM and GPGPU. All the nodes are interconnected by a Gigabit Ethernet network and have access to several shared storage systems for a total capacity of 100 TB. Two hardware- accelerated interactive visualization nodes provide a way to remotely run 3D accelerated application. More than 100 softwares are installed, including most of the general programming languages, home-made codes developed for particular applications, major scientific codes under license or visualization tools. As part of the CÉCI shared infrastructure, the PTCI gives also access to larger HPC facilities.
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Explore the research areas in which this equipment has been used. These labels are generated based on the related outputs. Together they form a unique fingerprint.
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Computational analysis of solar light harvesting properties of TiO2-BiVO4 inverse opals for applications in photocatalysis
Habli, O., Lourdu Madanu, T., Su, B. L. & Deparis, O., Feb 2026, In: Journal of Energy Chemistry. 113, p. 610-621 12 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile10 Downloads (Pure) -
A Hybrid Scheme for Calculating Correlated and Frequency-Dependent First and Second Hyperpolarizabilities of Molecules in Solution: A Case Study on Para-Disubstituted Benzene Derivatives
Kaka, K. S., Champagne, B. & Castet, F., 18 Sept 2025, The Journal of Physical Chemistry B: Liquids; Chemical and Dynamical Processes in Solution, 129, 37, p. 9457-9468 12 p.Research output: Contribution to specialist publication › Article
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A molecular electron density theory investigation of the mechanism of intramolecular [3+2] cycloaddition (32CA) with the participation of nitrile N-oxide and ethene molecular segments
Chellegui, M., Benmetir, S., Salih, R. N., Mohammad-Salim, H. A., de Julián-Ortiz, J. V. & Ben Ahmed, A., 25 Mar 2025, In: New Journal of Chemistry. 49, 18, p. 7302-7313 12 p.Research output: Contribution to journal › Article › peer-review
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ChillAnts: Comparative physiology of adaptation to cold-extremes in boreal ants
Willot, Q. (PI) & Dennis, A. (Supervisor)
1/12/24 → 30/11/26
Project: Research
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Activities
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Partial Switching in Anil Crystals: Impact on the Second-Order Nonlinear Optical Properties
Deveaux, N. (Speaker)
13 Mar 2026Activity: Talk or presentation types › Oral presentation
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Experiment-Theory Collaboration Investigation of the H12-M2-(DOBDOP)3 MOF phase transitions
Mairesse, F. (Speaker)
15 Sept 2025 → 18 Sept 2025Activity: Talk or presentation types › Oral presentation
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Main-Group Elements Reactivity Conference
Beaujean, P. (Contributor)
10 Sept 2025Activity: Participating in or organising an event types › Participation in conference